Geometry & MOs

Info

ID:	188099
PubChem CID:	77668176
Reduced:	Cl2N4O4H20C23 (1)
Stoich.:	A2B4C4D20E23 (1)
Weight, g/mol:	723.288665
ΔH_f, kcal/mol:	-78.61
Dipole, Da:	3.18
IP(EA), eV:	-8.96(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

4-[3-chloro-6-[[2-(6-fluoropyridin-2-yl)imidazol-1-yl]methyl]-4-methyl-5-propylpyridazin-1-ium-1-yl]-1-[6-[[2-(6-fluoropyridin-2-yl)imidazol-1-yl]methyl]-5-propylpyridazin-3-yl]-2-methylbut-3-yn-2-ol

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC1=CC=CC=C1C(C2=C(C=CC(=C2)OC3=C(C=C(C=C3Cl)N4C(=O)NC(=O)CN4)Cl)O)N

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC1=CC=CC=C1C(C2=C(C=CC(=C2)OC3=C(C=C(C=C3Cl)N4C(=O)NC(=O)CN4)Cl)O)N

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):